(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine

C9H14N2 — CID 143015883

IUPAC(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine
SMILESCC1=C/C(C)/N=C\C(C)/N=C\1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3)10-5-7/h4-6,8-9H,1-3H3/b7-4-,10-5-,11-6-
InChIKeyUEERFNUFUAVIPC-VHBNHEOMSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds

About (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine

(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine (PubChem CID 143015883) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine.

Molecular Properties

Compound Name(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine
PubChem CID143015883
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine
SMILESCC1=C/C(C)/N=C\C(C)/N=C\1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3)10-5-7/h4-6,8-9H,1-3H3/b7-4-,10-5-,11-6-
InChIKeyUEERFNUFUAVIPC-VHBNHEOMSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-butan-2-yl-2-methylpent-2-en-1-imine
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4-ethyl-2-methyl-2H-pyrrole
CID 89088241
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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine?
The IUPAC name of (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine (CID 143015883) is (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine.
What is the SMILES notation for (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine?
The canonical SMILES for (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine is CC1=C/C(C)/N=C\C(C)/N=C\1.
What is the InChIKey of (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine?
The InChIKey is UEERFNUFUAVIPC-VHBNHEOMSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3)10-5-7/h4-6,8-9H,1-3H3/b7-4-,10-5-,11-6-.
What are the key properties of (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine?
(6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,5,7-trimethyl-2,5-dihydro-1,4-diazocine is sourced from PubChem (CID 143015883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).